7,8,9,12,13,14,28,29,30,33,34,35-Dodecahydroxy-20-[2-oxo-2-(3,4,5-trihydroxyphenyl)ethyl]-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.02,19.05,10.011,16.026,31.032,37]nonatriaconta-5,7,9,11,13,15,26,28,30,32,34,36-dodecaene-4,17,25,38-tetrone

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 单宁
• 英文名称: 7,8,9,12,13,14,28,29,30,33,34,35-Dodecahydroxy-20-[2-oxo-2-(3,4,5-trihydroxyphenyl)ethyl]-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.02,19.05,10.011,16.026,31.032,37]nonatriaconta-5,7,9,11,13,15,26,28,30,32,34,36-dodecaene-4,17,25,38-tetrone
• 英文别名: 7,8,9,12,13,14,28,29,30,33,34,35-dodecahydroxy-20-[2-oxo-2-(3,4,5-trihydroxyphenyl)ethyl]-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.02,19.05,10.011,16.026,31.032,37]nonatriaconta-5,7,9,11,13,15,26,28,30,32,34,36-dodecaene-4,17,25,38-tetrone
• 化学式: C₄₂H₃₀O₂₅
• 分子量: 934.7
• InChiKey: QXHMPIGPMUUTTM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  67
• 可旋转键数：
  3
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  435
• 氢给体数：
  15
• 氢受体数：
  25